@article {26690,
	title = {Boundary treatments in non-equilibrium Green{\textquoteright}s function (NEGF) methods for quantum transport in nano-MOSFETs},
	journal = {Journal of Computational Physics},
	volume = {227},
	year = {2008},
	pages = {6553{\textendash}6573},
	abstract = {


Non-equilibrium Green{\textquoteright}s function (NEGF) is a general method for modeling non-equilibrium quantum transport in open mesoscopic systems with many body scattering effects. In this paper, we present a unified treatment of quantum device boundaries in the framework of NEGF with both finite difference and finite element discretizations. Boundary treat- ments for both types of numerical methods, and the resulting self-energy R for the NEGF formulism, representing the dis- sipative effects of device contacts on the transport, are derived using auxiliary Green{\textquoteright}s functions for the exterior of the quantum devices. Numerical results with both discretization schemes for an one-dimensional nano-device and a 29 nm double gated MOSFET are provided to demonstrate the accuracy and flexibility of the proposed boundary treatments. 


},
	url = {https://doi.org/10.1016/j.jcp.2008.03.018},
	author = {Haiyan Jiang and Sihong Shao and Wei Cai and Zhang, Pingwen}
}
